| CAS Number | 1250229-89-0 |
| Catalog Number | AG01AFUQ |
| Chemical Name | 4-bromo-N-ethyl-2-hydroxy-N-methylbenzamide |
| IUPAC Name | 4-bromo-N-ethyl-2-hydroxy-N-methylbenzamide |
| InChI | InChI=1S/C10H12BrNO2/c1-3-12(2)10(14)8-5-4-7(11)6-9(8)13/h4-6,13H,3H2,1-2H3 |
| InChI Key | YGADQQVASHERFI-UHFFFAOYSA-N |
| MDL Number | MFCD16108803 |
| Molecular Formula | C10H12BrNO2 |
| Molecular Weight | 258.1118 |
| SMILES | CCN(C(C1=C(O)C=C(Br)C=C1)=O)C |
| Synonyms | 4-bromo-N-ethyl-2-hydroxy-N-methylbenzamide,
1250229-89-0,
ZINC44490587,
AKOS011053506,
NE54264,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.115g/mol |
| Monoisotopic Mass | 257.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number